Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles

The experimental design of improved nanocatalysts is usually based on shape control and is surface-ligand dependent. First-principle calculations can guide their design, both in terms of activity and selectivity, provided that theoretical descriptors can be defined and used in a prescreening process...

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Veröffentlicht in:	ACS nano 2013-11, Vol.7 (11), p.9823-9835
Hauptverfasser:	del Rosal, Iker, Mercy, Maxime, Gerber, Iann C, Poteau, Romuald
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Chemical Sciences Design engineering Ligands Mathematical models Nanoparticles Nanostructure or physical chemistry Other Ruthenium Surface chemistry Synthesis (chemistry) Theoretical and
Online-Zugang:	Volltext
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